instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_550>. | Cl.N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 | |
What is the building block token for the following molecule? | Cl.N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 | <BB_550> |
What is the molecular formula for <BB_550>? | The molecular formula for <BB_550> (Cl.N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1) is C8H17ClN2O2S. | |
Describe the ring structures in building block <BB_550>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_550>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_550>. | **Token:** <BB_550>
**SMILES:** Cl.N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1
**Molecular Formula:** C8H17ClN2O2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_551>. | O=C(Cl)N1C[C@H]2CC[C@H]2C1 | |
What is the building block token for the following molecule? | O=C(Cl)N1C[C@H]2CC[C@H]2C1 | <BB_551> |
What is the molecular formula for <BB_551>? | The molecular formula for <BB_551> (O=C(Cl)N1C[C@H]2CC[C@H]2C1) is C7H10ClNO. | |
Describe the ring structures in building block <BB_551>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_551>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_551>. | **Token:** <BB_551>
**SMILES:** O=C(Cl)N1C[C@H]2CC[C@H]2C1
**Molecular Formula:** C7H10ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_552>. | Cc1cccc2[nH]c(CN)nc12.Cl | |
What is the building block token for the following molecule? | Cc1cccc2[nH]c(CN)nc12.Cl | <BB_552> |
What is the molecular formula for <BB_552>? | The molecular formula for <BB_552> (Cc1cccc2[nH]c(CN)nc12.Cl) is C9H12ClN3. | |
Describe the ring structures in building block <BB_552>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_552>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_552>. | **Token:** <BB_552>
**SMILES:** Cc1cccc2[nH]c(CN)nc12.Cl
**Molecular Formula:** C9H12ClN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_553>. | Cn1nc(Br)c2ncnc(Cl)c21 | |
What is the building block token for the following molecule? | Cn1nc(Br)c2ncnc(Cl)c21 | <BB_553> |
What is the molecular formula for <BB_553>? | The molecular formula for <BB_553> (Cn1nc(Br)c2ncnc(Cl)c21) is C6H4BrClN4. | |
Describe the ring structures in building block <BB_553>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_553>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_553>. | **Token:** <BB_553>
**SMILES:** Cn1nc(Br)c2ncnc(Cl)c21
**Molecular Formula:** C6H4BrClN4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_554>. | CCCC(C(=O)O)n1ccc(N)n1 | |
What is the building block token for the following molecule? | CCCC(C(=O)O)n1ccc(N)n1 | <BB_554> |
What is the molecular formula for <BB_554>? | The molecular formula for <BB_554> (CCCC(C(=O)O)n1ccc(N)n1) is C8H13N3O2. | |
Describe the ring structures in building block <BB_554>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_554>. | The molecule contains the following groups: Carboxylic Acid, Amine. | |
Provide a comprehensive chemical profile for the building block <BB_554>. | **Token:** <BB_554>
**SMILES:** CCCC(C(=O)O)n1ccc(N)n1
**Molecular Formula:** C8H13N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine | |
Provide the SMILES representation for the building block token <BB_555>. | CCn1c(=O)ccc2cnc(SC)nc21 | |
What is the building block token for the following molecule? | CCn1c(=O)ccc2cnc(SC)nc21 | <BB_555> |
What is the molecular formula for <BB_555>? | The molecular formula for <BB_555> (CCn1c(=O)ccc2cnc(SC)nc21) is C10H11N3OS. | |
Describe the ring structures in building block <BB_555>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_555>. | The molecule contains the following groups: Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_555>. | **Token:** <BB_555>
**SMILES:** CCn1c(=O)ccc2cnc(SC)nc21
**Molecular Formula:** C10H11N3OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Sulfide | |
Provide the SMILES representation for the building block token <BB_556>. | C#CCOCCC(=O)O | |
What is the building block token for the following molecule? | C#CCOCCC(=O)O | <BB_556> |
What is the molecular formula for <BB_556>? | The molecular formula for <BB_556> (C#CCOCCC(=O)O) is C6H8O3. | |
Describe the ring structures in building block <BB_556>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_556>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_556>. | **Token:** <BB_556>
**SMILES:** C#CCOCCC(=O)O
**Molecular Formula:** C6H8O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_557>. | Cc1nnc2n1CC(C(=O)O)C2.Cl | |
What is the building block token for the following molecule? | Cc1nnc2n1CC(C(=O)O)C2.Cl | <BB_557> |
What is the molecular formula for <BB_557>? | The molecular formula for <BB_557> (Cc1nnc2n1CC(C(=O)O)C2.Cl) is C7H10ClN3O2. | |
Describe the ring structures in building block <BB_557>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_557>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_557>. | **Token:** <BB_557>
**SMILES:** Cc1nnc2n1CC(C(=O)O)C2.Cl
**Molecular Formula:** C7H10ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_558>. | O=C(O)CC(Br)CC(=O)O | |
What is the building block token for the following molecule? | O=C(O)CC(Br)CC(=O)O | <BB_558> |
What is the molecular formula for <BB_558>? | The molecular formula for <BB_558> (O=C(O)CC(Br)CC(=O)O) is C5H7BrO4. | |
Describe the ring structures in building block <BB_558>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_558>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_558>. | **Token:** <BB_558>
**SMILES:** O=C(O)CC(Br)CC(=O)O
**Molecular Formula:** C5H7BrO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_559>. | COC(=O)c1ccn2nccc2c1Cl | |
What is the building block token for the following molecule? | COC(=O)c1ccn2nccc2c1Cl | <BB_559> |
What is the molecular formula for <BB_559>? | The molecular formula for <BB_559> (COC(=O)c1ccn2nccc2c1Cl) is C9H7ClN2O2. | |
Describe the ring structures in building block <BB_559>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_559>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_559>. | **Token:** <BB_559>
**SMILES:** COC(=O)c1ccn2nccc2c1Cl
**Molecular Formula:** C9H7ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_560>. | Cl.O=C1CNCCN1c1ccc(F)cc1 | |
What is the building block token for the following molecule? | Cl.O=C1CNCCN1c1ccc(F)cc1 | <BB_560> |
What is the molecular formula for <BB_560>? | The molecular formula for <BB_560> (Cl.O=C1CNCCN1c1ccc(F)cc1) is C10H12ClFN2O. | |
Describe the ring structures in building block <BB_560>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_560>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_560>. | **Token:** <BB_560>
**SMILES:** Cl.O=C1CNCCN1c1ccc(F)cc1
**Molecular Formula:** C10H12ClFN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_561>. | COC(=O)c1nc(C2CCNCC2)sc1C | |
What is the building block token for the following molecule? | COC(=O)c1nc(C2CCNCC2)sc1C | <BB_561> |
What is the molecular formula for <BB_561>? | The molecular formula for <BB_561> (COC(=O)c1nc(C2CCNCC2)sc1C) is C11H16N2O2S. | |
Describe the ring structures in building block <BB_561>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_561>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_561>. | **Token:** <BB_561>
**SMILES:** COC(=O)c1nc(C2CCNCC2)sc1C
**Molecular Formula:** C11H16N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_562>. | N#Cc1cc(Br)ccc1O | |
What is the building block token for the following molecule? | N#Cc1cc(Br)ccc1O | <BB_562> |
What is the molecular formula for <BB_562>? | The molecular formula for <BB_562> (N#Cc1cc(Br)ccc1O) is C7H4BrNO. | |
Describe the ring structures in building block <BB_562>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_562>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_562>. | **Token:** <BB_562>
**SMILES:** N#Cc1cc(Br)ccc1O
**Molecular Formula:** C7H4BrNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_563>. | Cn1nc([N+](=O)[O-])cc1C(=O)O | |
What is the building block token for the following molecule? | Cn1nc([N+](=O)[O-])cc1C(=O)O | <BB_563> |
What is the molecular formula for <BB_563>? | The molecular formula for <BB_563> (Cn1nc([N+](=O)[O-])cc1C(=O)O) is C5H5N3O4. | |
Describe the ring structures in building block <BB_563>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_563>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_563>. | **Token:** <BB_563>
**SMILES:** Cn1nc([N+](=O)[O-])cc1C(=O)O
**Molecular Formula:** C5H5N3O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_564>. | CCOC(OCC)c1ncc(Br)cn1 | |
What is the building block token for the following molecule? | CCOC(OCC)c1ncc(Br)cn1 | <BB_564> |
What is the molecular formula for <BB_564>? | The molecular formula for <BB_564> (CCOC(OCC)c1ncc(Br)cn1) is C9H13BrN2O2. | |
Describe the ring structures in building block <BB_564>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_564>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_564>. | **Token:** <BB_564>
**SMILES:** CCOC(OCC)c1ncc(Br)cn1
**Molecular Formula:** C9H13BrN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_565>. | COCc1cc(N)ccc1Cl | |
What is the building block token for the following molecule? | COCc1cc(N)ccc1Cl | <BB_565> |
What is the molecular formula for <BB_565>? | The molecular formula for <BB_565> (COCc1cc(N)ccc1Cl) is C8H10ClNO. | |
Describe the ring structures in building block <BB_565>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_565>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_565>. | **Token:** <BB_565>
**SMILES:** COCc1cc(N)ccc1Cl
**Molecular Formula:** C8H10ClNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_566>. | C1CO[C@H]2CCCN[C@H]2C1.Cl | |
What is the building block token for the following molecule? | C1CO[C@H]2CCCN[C@H]2C1.Cl | <BB_566> |
What is the molecular formula for <BB_566>? | The molecular formula for <BB_566> (C1CO[C@H]2CCCN[C@H]2C1.Cl) is C8H16ClNO. | |
Describe the ring structures in building block <BB_566>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. |
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